SCHEMBL178694

SCHEMBL178694

COc1ccc(-c2cc(C)c(N)c(-c3ccc(OCc4ccccc4)cc3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.54
ENPP3 O14638 1/20 0.53
ENPP1 P22413 1/20 0.53
NPSR1 Q6W5P4 2/20 0.52
MAPT P10636 2/20 0.52
MCL1 Q07820 4/20 0.51
PTGS1 P23219 2/20 0.49
PTGS2 P35354 2/20 0.49
ALDH1A1 P00352 2/20 0.49
IKBKE Q14164 1/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PIM1 P11309 1/20 0.47
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL178690 0.86 DYRK1A (0.55) ENPP3NPSR1MAPTALDH1A1LMNA
SCHEMBL178679 0.83 DYRK1A (0.45) XDHMAPTALDH1A1NPC1RAB9A
SCHEMBL110393 0.82 DHODH (0.52) XDHNPSR1MAPTMCL1ALDH1A1
SCHEMBL22126519 0.80 PTGS1 (0.58) XDHNPSR1MAPTPTGS1PTGS2
SCHEMBL8676667 0.79 NPSR1 (0.55) XDHENPP3ENPP1NPSR1MAPT
SCHEMBL8680333 0.78 NPSR1 (0.54) ENPP3ENPP1NPSR1MAPTPTGS1
SCHEMBL178708 0.77 ACP1 (0.47) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL22139524 0.75 NPSR1 (0.53) ENPP3ENPP1NPSR1MAPTPTGS1
SCHEMBL22139476 0.75 PTGS1 (0.67) XDHENPP3ENPP1MAPTMCL1
SCHEMBL8676788 0.74 MAPT (0.50) ENPP3ENPP1NPSR1MAPTALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058988-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-03-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120058988-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS JAK2, JAK1, JAK3 XDH 1318/4885ENPP3 3883/4885ENPP1 3729/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.